3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid | 50703-56-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid
• CAS: 50703-56-5
• 化学式: C₁₁H₁₃FO₃
• mdl: MFCD12794483
• 分子量: 212.221
• InChiKey: AAABJKSOVYDFKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid 在 水 、 乙醚 、 potassium hydrogencarbonate 、 二氯甲烷 、 magnesium sulfate 、 methylene chloride hexanes 作用下， 以 polyphosphoric acid 、 水 为溶剂， 反应 17.25h， 以to give 5-fluoro-6-methoxy-2-methylindanone (m.p. 76-78°)的产率得到5-Fluor-6-methoxy-2-methylindanon
  参考文献：
  名称：

  Substituted condensation products of 1H-indenyl-hydroxyalkanes with

  摘要：

  1H-茚烷羟基烷基与醛的置换缩合产物，可用于诱导或促进细胞凋亡，并阻止不受控制的肿瘤细胞增殖，特别适用于肿瘤的治疗和防治，包括癌前病变和癌症病变。

  公开号：

  US06028116A1
• 作为产物：
  描述：

  3-Fluoro-4-methoxy-α-methylcinnamic acid 以 甲醇 为溶剂， 生成 3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid
  参考文献：
  名称：

  Method for treating patient having precancerous lesions with a combination of pyrimidopyrimidine derivatives and esters and amides of substituted indenyl acetic acides

  摘要：

  取代基茚基乙酸和嘧啶并嘧啶衍生物的组合物在结肠息肉的治疗和抑制肿瘤细胞生长方面是有用的。

  公开号：

  US06232312B1

文献信息

• Esters and amides of substituted indenyl acetic acids
  申请人：FGN, INC.

  公开号：EP0485172A3

  公开（公告）日：1993-01-27

  Esters and amides of substituted indenyl acetic acids of the formula : n is an integer of at least 2 ; Q is a deprotonated residue of polymer or macromolecular structure having a molecular weight of at least about 1000 containing at least two primary and/or secondary amino groups and/or hydroxy groups ;R1 is selected from hydrogen, lower alkyl, or haloalkyl ;R2 is selected from hydrogen or alkyl ;R3 and R4 are one or more members each independently chosen from hydrogen, alkyl, acyloxy, alkoxy, nitro, amino, acylamino, alkylamino, diakylamino, dialkylaminoalkyl, sulfamyl, alkythio, mercapto, hydroxy, hydroxyalkyl, alkylsulfonyl, halogen, cyano, carboxyl, carbalkoxy, carbamido, haloalkyl or cycloalkoxy ; andR5 is selected from alkylsulfenyl, alkylsulfinyl or alkylsulfonyl. are useful in the treatment of colonic polyps.

  取代的茚基乙酸酯和酰胺的化学式为：n是至少为2的整数；Q是具有分子量至少约为1000的聚合物或高分子结构的去质子残基，其中含有至少两个主要和/或次要氨基和/或羟基；R1从氢、较低的烷基或卤代烷基中选择；R2从氢或烷基中选择；R3和R4分别选择自氢、烷基、酰氧基、烷氧基、硝基、氨基、酰胺基、烷基胺基、二烷基胺基、二烷基胺基烷基、磺胺基、烷硫基、巯基、羟基、羟基烷基、烷基磺酰基、卤素、氰基、羧基、羧酰氧基、卤代烷基或环氧基中选择；R5从烷基硫基、烷基亚砜基或烷基砜基中选择。这些化合物在结肠息肉的治疗中很有用。
• [EN] ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES<br/>[FR] IMIDAZOPYRIDINES À SUBSTITUTION ISOXAZOLYLE
  申请人：CELLCENTRIC LTD

  公开号：WO2016170323A1

  公开（公告）日：2016-10-27

  A compound which is an isoxazolyl imidazopyridine of formula (I): wherein: R0 and R, which are the same or different, are each H or C alkyl; R9' and R9", which are the same or different, are each H or F; X is -(alk)n-, -alk-C(=O)-NR-, -alk-NR-C(=O)- or -alk-C(=O)-; R1 is selected from -S(=O)2R' and a 4- to 7-membered heterocyclic group which is unsubstituted or substituted; R2 and R2', which are the same or different, are each H or C1-6 alkyl; or R2 and R2' form, together with the C atom to which they are attached, a C3-6 cycloalkyl group; R3 and R3', which are the same or different, are each H, C1-6 alkyl, OH or F; R4 is phenyl or a 5- to 12-membered N-containing heteroaryl group and is unsubstituted or substituted; alk is C1-6 alkylene; R' is C1-6 alkyl; and n is 0 or 1; or a pharmaceutically acceptable salt thereof. The compound has activity in modulating the activity of p300 and/or CBP and is used to treat cancer.

  一种具有如下结构的异噁唑基咪唑吡啶化合物（I）：其中：R0和R，相同或不同，各自为H或C烷基；R9'和R9"，相同或不同，各自为H或F；X为-(烷基)n-、-烷基-C(=O)-NR-、-烷基-NR-C(=O)-或-烷基-C(=O)-；R1选自-S(=O)2R'和未取代或取代的4至7成员杂环基；R2和R2'，相同或不同，各自为H或C1-6烷基；或R2和R2'与它们附着的C原子共同形成C3-6环烷基；R3和R3'，相同或不同，各自为H、C1-6烷基、OH或F；R4为苯基或未取代或取代的5至12成员含氮杂环基；烷基为C1-6烷基；R'为C1-6烷基；n为0或1；或其在药学上可接受的盐。该化合物具有调节p300和/或CBP活性的作用，并用于治疗癌症。
• [EN] ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES<br/>[FR] BENZIMIDAZOLES SUBSTITUÉS PAR UN ISOXAZOLYLE
  申请人：CELLCENTRIC LTD

  公开号：WO2016170324A1

  公开（公告）日：2016-10-27

  A compound which is a benzimidazolyl isoxazole of formula (I): wherein: R0and R, which are the same or different, are each H or C1-6 alkyl; R9, R9 and R9, which are the same or different, are each H or F; X is -(alkn-, -alk-C(=O)-NR-, -alk-NR-C(=O)- or -alk-C(=O)-; R1 is selected from -S(=O)2R'; a 4- to 6-membered, C-linked heterocyclic group which is unsubstituted or substituted; and an N-linked spiro group of the following formula: R2 and R2', which are the same or different, are each H or C1-6 alkyl, or R2 and R2' form, together with the C atom to which they are attached, a C3-6 cycloalkyl group; R3 and R3, which are the same or different, are each H, C1-6 alkyl, OH or F; R4 is phenyl or a 5- to 12-membered, N-containing heteroaryl group and is unsubstituted or substituted; alk is C1-6 alkylene; R' is C1-6 alkyl; and n is 0 or 1; or a pharmaceutically acceptable salt thereof. The compound has activity in modulating the activity of p300 and/or CBP and is used to treat cancer, particularly prostate cancer.

  一种化合物，是一种具有以下结构的苯并咪唑基异唑烷（I）：其中：R0和R，相同或不同，分别为H或C1-6烷基；R9，R9和R9，相同或不同，分别为H或F；X为-(烷基-，-烷基-C(=O)-NR-，-烷基-NR-C(=O)-或-烷基-C(=O)-；R1从-S(=O)2R'，未取代或取代的4-至6-成员的C-连接的杂环基，以及以下式的N-连接的螺环基中选择：R2和R2'，相同或不同，分别为H或C1-6烷基，或者R2和R2'与它们连接的C原子一起形成C3-6环烷基；R3和R3，相同或不同，分别为H，C1-6烷基，OH或F；R4为苯基或未取代或取代的含氮5-至12-成员的杂芳基；烷基为C1-6烷基；R'为C1-6烷基；n为0或1；或其药用盐。该化合物具有调节p300和/或CBP活性的作用，并用于治疗癌症，特别是前列腺癌。
• Substituted condensation products of 1H-indenyl-hydroxyalkanes with
  申请人：Cell Pathways, Inc.

  公开号：US06028116A1

  公开（公告）日：2000-02-22

  Substituted condensation products of 1H-indenylhydroxyalkanes with aldehydes are useful for inducing or promoting apoptosis and for arresting uncontrolled neoplastic cell proliferation, and are specifically useful in the arresting and treatment of neoplasia, including precancerous and cancerous lesions.

  1H-茚基羟基烷烃与醛的缩聚产物可用于诱导或促进细胞凋亡，并阻止不受控制的肿瘤细胞增殖，特别适用于阻止和治疗肿瘤病变，包括癌前病变和癌症病变。
• Lactone compounds for treating patients with precancerous lesions
  申请人：Cell Pathways, Inc.

  公开号：US05696159A1

  公开（公告）日：1997-12-09

  Substituted lactone compounds are useful in the treatment of precancerous lesions.

  替代内酯化合物在治疗癌前病变方面具有用处。